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Name | CHEMBL3977624 |
---|---|
Molecular formula | C31H38ClN5O2S |
IUPAC name | 1-[2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea |
Molecular weight | 580.188 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 7.0 |
Synonyms | BDBM245305 SCHEMBL16782758 US9428504, 45 |
Inchi Key | ADLCGJKRUBYLGT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H38ClN5O2S/c1-30(2,3)18-36-16-14-31(15-17-36)19-37(27-24(38)13-12-20(32)26(27)31)23-10-6-4-8-21(23)33-28(39)35-29-34-22-9-5-7-11-25(22)40-29/h4,6,8,10,12-13,38H,5,7,9,11,14-19H2,1-3H3,(H2,33,34,35,39) |
PubChem CID | 118130584 |
ChEMBL | CHEMBL3977624 |
IUPHAR | N/A |
BindingDB | 245305 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
533921 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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